2,3-dimethyl-1-propan-2-ylpyrrole

C9H15N — CID 59338872

IUPAC2,3-dimethyl-1-propan-2-ylpyrrole
SMILESCc1ccn(C(C)C)c1C
InChIInChI=1S/C9H15N/c1-7(2)10-6-5-8(3)9(10)4/h5-7H,1-4H3
InChIKeyRMDQFHXHAZIQGZ-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.69
Rot. Bonds1

About 2,3-dimethyl-1-propan-2-ylpyrrole

2,3-dimethyl-1-propan-2-ylpyrrole (PubChem CID 59338872) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2,3-dimethyl-1-propan-2-ylpyrrole.

Molecular Properties

Compound Name2,3-dimethyl-1-propan-2-ylpyrrole
PubChem CID59338872
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2,3-dimethyl-1-propan-2-ylpyrrole
SMILESCc1ccn(C(C)C)c1C
InChIInChI=1S/C9H15N/c1-7(2)10-6-5-8(3)9(10)4/h5-7H,1-4H3
InChIKeyRMDQFHXHAZIQGZ-UHFFFAOYSA-N
XLogP2.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-propan-2-ylpyrrole?
The IUPAC name of 2,3-dimethyl-1-propan-2-ylpyrrole (CID 59338872) is 2,3-dimethyl-1-propan-2-ylpyrrole.
What is the SMILES notation for 2,3-dimethyl-1-propan-2-ylpyrrole?
The canonical SMILES for 2,3-dimethyl-1-propan-2-ylpyrrole is Cc1ccn(C(C)C)c1C.
What is the InChIKey of 2,3-dimethyl-1-propan-2-ylpyrrole?
The InChIKey is RMDQFHXHAZIQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)10-6-5-8(3)9(10)4/h5-7H,1-4H3.
What are the key properties of 2,3-dimethyl-1-propan-2-ylpyrrole?
2,3-dimethyl-1-propan-2-ylpyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-propan-2-ylpyrrole is sourced from PubChem (CID 59338872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).